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Compounds

COMPOUND NPA018790

STRUCTURE

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PROPERTIES

NPAID	NPA018790
CLUSTER ID	392
NODE ID	353
NAME	Pretubulysin
FORMULA	C36H55N5O5S
MOLECULAR WEIGHT (Da)	669.9330
ACCURATE MASS (Da)	669.3924
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Angiococcus
ORIGIN SPECIES	disciformis
InChIKey	IUQKJKPHUBJDJV-UMNBWOBWSA-N
InChI	InChI=1S/C36H55N5O5S/c1-8-24(4)32(39-34(43)30-16-12-13-19-40(30)6)35(44)41(7)29(23(2)3)17-18-31-38-28(22-47-31)33(42)37-27(20-25(5)36(45)46)21-26-14-10-9-11-15-26/h9-11,14-15,22-25,27,29-30,32H,8,12-13,16-21H2,1-7H3,(H,37,42)(H,39,43)(H,45,46)/t24-,25-,27+,29+,30+,32-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(C)[C@H](CCC1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)C(C)C)NC(=O)[C@H]3CCCCN3C

ORIGINAL ISOLATION REFERENCE

CITATION	Ullrich, Angelika; Chai, Yi; Pistorius, Dominik; Elnakady, Yasser A.; Herrmann, Jennifer E.; Weissman, Kira J.; Kazmaier, Uli; Müller, Rolf Pretubulysin, a Potent and Chemically Accessible Tubulysin Precursor from Angiococcus disciformis Angewandte Chemie International Edition 2009 48 (24) 4422-4425.
DOI	10.1002/anie.200900406	PMID	19431172

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Deltaproteobacteria	LPSN	28221
Order	Myxococcales	LPSN	29
Family	Archangiaceae	LPSN	39
Genus	Angiococcus	LPSN	-

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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